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4-ACETOXY-3-(3'-METHYL-2'-BUTENYL)-BENZOIC-ACID

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-ACETOXY-3-(3'-METHYL-2'-BUTENYL)-BENZOIC-ACID
SpectraBase Compound ID 2NdP96TAqQj
InChI InChI=1S/C14H16O4/c1-9(2)4-5-11-8-12(14(16)17)6-7-13(11)18-10(3)15/h4,6-8H,5H2,1-3H3,(H,16,17)
InChIKey LJXDJSDZOJAKDD-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQ1bCtKDoCg
Name 4-Acetoxy-3-(3-methylbut-2-enyl)benzoic acid
Alternate Name(s) 4-Acetyloxy-3-(3-methylbut-2-enyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-9(2)4-5-11-8-12(14(16)17)6-7-13(11)18-10(3)15/h4,6-8H,5H2,1-3H3,(H,16,17)
InChIKey LJXDJSDZOJAKDD-UHFFFAOYSA-N
Molecular Weight 248.278 g/mol
SMILES OC(c1cc(CC=C(C)C)c(cc1)OC(=O)C)=O
SPLASH splash10-0pb9-0980000000-24f9d937b65c11604454
Source of Spectrum X2-54-1296-2
Wiley ID 1604221